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Ligand

NameCHEMBL516804
Molecular formulaC26H28FNO4
IUPAC name4-[4-[2-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight437.511
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.3
SynonymsBDBM50242835
4-(2-{[(2R)-2-(3-Fluorophenyl)-2-hydroxyethyl]amino}ethyl)-3-isopropoxy-1,1-biphenyl-4-carboxylic acid
Inchi KeyAQZDSTWRVHDELC-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H28FNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
PubChem CID24895192
ChEMBLCHEMBL516804
IUPHARN/A
BindingDB50242835
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12228Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
12227Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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